Crystallography Open Database

Information card for entry 4103308

Preview

Coordinates	4103308.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H55 Co N2 O2
Calculated formula	C42 H55 Co N2 O2
SMILES	c12c(cc(cc1N(c1ccccc1)[Co]1(CC)(N(c3c(c(cc(c3)C(C)(C)C)C(C)(C)C)O1)c1ccccc1)O2)C(C)(C)C)C(C)(C)C
Title of publication	Redox-Active Ligand-Mediated Oxidative Addition and Reductive Elimination at Square Planar Cobalt(III): Multielectron Reactions for Cross-Coupling
Authors of publication	Aubrey L. Smith; Kenneth I. Hardcastle; Jake D. Soper
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	14358 - 14360
a	13.036 ± 0.014 Å
b	13.449 ± 0.014 Å
c	13.553 ± 0.014 Å
α	67.671 ± 0.015°
β	85.679 ± 0.016°
γ	64.31 ± 0.015°
Cell volume	1969 ± 4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.104
Residual factor for significantly intense reflections	0.0558
Weighted residual factors for significantly intense reflections	0.1084
Weighted residual factors for all reflections included in the refinement	0.1266
Goodness-of-fit parameter for all reflections included in the refinement	1.004
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178779 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/33.	4103308.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4103308.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4103308.cif
26289	2011-09-21	../uploads/cif-deposit/cod/cif Adding structures of 4103308 via cif-deposit CGI script.	4103308.cif